SCHEMBL29914463

SCHEMBL29914463

Nc1ncc(-c2ccc(C3CCCCN3CC(F)(F)F)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
GSK3B P49841 2/20 0.40
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 3/20 0.38
MAPKAPK2 P49137 7/20 0.37
KCNH2 Q12809 2/20 0.36
MAPK9 P45984 1/20 0.36
CDC7 O00311 2/20 0.35
SIK2 Q9H0K1 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK6 Q00534 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24680742 1.00 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680741 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914598 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680743 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914481 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680748 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914450 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914400 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680739 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL31079219 0.86 MAPK1 (0.42) MAPK1GSK3BPARP10PARP11MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed